Acetyl chloride - 1M in Dichloromethane , CAS No.75-36-5

CAS: 75-36-5 Cat. No.: A140638 Fórmula: C₂H₃ClO Peso molecular: 78.5 Número EC: 200-865-6

GRADE & PURITY 1M in Dichloromethane

Synonyms

Acetic acid chloride | acetylchlorid | acetyl chlorid | EC 200-865-6 | Ethanoyl chloride | UN1717 (DOT) | Acetic acid, chloride | DB14623 | EINECS 200-865-6 | UNII-QD15RNO45K | Acetyl chloride [UN1717] [Flammable liquid] | ACETYL CHLORIDE [MI] | ETHANOIC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

Acetyl chloride (AcCl) can be used as:
An acylating reagent to prepare useful key intermediates in organic synthesis.
A reagent to convert oxathioacetals and dithioacetals into corresponding carbonyl compounds in the presence of sodium nitrite.
An activating or acylating reagent in solid-phase organic synthesis.
A reagent to prepare various alkyl and aryl tetrahydropyranyl ethers from corresponding alcohols.

Specifications

Sinónimos

Acetic acid chloride | acetylchlorid | acetyl chlorid | EC 200-865-6 | Ethanoyl chloride | UN1717 (DOT) | Acetic acid, chloride | DB14623 | EINECS 200-865-6 | UNII-QD15RNO45K | Acetyl chloride [UN1717] [Flammable liquid] | ACETYL CHLORIDE [MI] | ETHANOIC

Especificaciones y pureza

1M in Dichloromethane

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice,FedEx DG Service

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Nombres e identificadores

Pubchem Sid

504751075

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751075

Sonrisas canónicas

CC(=O)Cl

IUPAC Name

acetyl chloride

InChIKey

WETWJCDKMRHUPV-UHFFFAOYSA-N

INCHI

1S/C2H3ClO/c1-2(3)4/h1H3

Isómeros SMILES

CC(=O)Cl

Número ONU

1717

Grupo de embalaje

II

Peso molecular

78.5

Reaxy-Rn

605303

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• External Descriptors: acyl chloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.39
• Punto de inflamación (°C): (closed cup)4.4°C
• Punto de ebullición (°C): 52°C
• Punto de fusión (°C): -112°C
• Peso molecular: 78.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 77.9872 Da
• Monoisotopic Mass: 77.9872 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1